Journal of Traditional Chinese Medicine ›› 2022, Vol. 42 ›› Issue (4): 576-585.DOI: 10.19852/j.cnki.jtcm.20220519.002
• Research Articles • Previous Articles Next Articles
JIANG Zong1, YAO Xiaoling2, MA Wukai1(), TANG Fang1()
Received:
2021-06-11
Accepted:
2021-09-23
Online:
2022-08-15
Published:
2022-07-12
Contact:
MA Wukai,TANG Fang
About author:
MA Wukai, Department of Rheumatology, the Second Affiliated Hospital of Guizhou University of Traditional Chinese Medicine, No. 83, Feishan Street, Yunyan District, Guiyang 550002, Guizhou, China. walker55@163.com, Telephone: +86-851-85556970Supported by:
JIANG Zong, YAO Xiaoling, MA Wukai, TANG Fang. Molecular mechanism analysis of Miao medicine Jinwujiangu decoction (金乌健骨方) in treating osteoarthritis based on a network pharmacology approach[J]. Journal of Traditional Chinese Medicine, 2022, 42(4): 576-585.
Chinese Herb | Mol ID | Molecule Name | OB | DL |
---|---|---|---|---|
Baishao (Radix Paeoniae Alba) | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy- 30-norolean-20-en-28,12beta-olide | 64.77 | 0.38 |
MOL001918 | paeoniflorgenone | 87.59 | 0.37 | |
MOL001919 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14- pentamethyl-2,3,5,6,7,9-hexahydro-1H- cyclopenta[a]phenanthrene-15,16-dione | 43.56 | 0.53 | |
MOL001921 | Lactiflorin | 49.12 | 0.8 | |
MOL001924 | paeoniflorin | 53.87 | 0.79 | |
MOL001925 | paeoniflorin_qt | 68.18 | 0.4 | |
MOL001928 | albiflorin_qt | 66.64 | 0.33 | |
MOL001930 | benzoyl paeoniflorin | 31.27 | 0.75 | |
MOL000211 | Mairin | 55.38 | 0.78 | |
MOL000358 | beta-sitosterol | 36.91 | 0.75 | |
MOL000359 | sitosterol | 36.91 | 0.75 | |
MOL000422 | kaempferol | 41.88 | 0.24 | |
MOL000492 | -catechin | 54.83 | 0.24 | |
Jianghuang (Rhizoma Curcumae Longae) | MOL000449 | Stigmasterol | 43.83 | 0.76 |
MOL000493 | campesterol | 37.58 | 0.71 | |
MOL000953 | CLR | 37.87 | 0.68 | |
Qiannianjian (Rhizoma Homalomenae) | MOL000358 | beta-sitosterol | 36.91 | 0.75 |
MOL000686 | acetylbullatantriol | 40.21 | 0.18 | |
MOL000691 | maristeminol | 30.64 | 0.38 | |
Qingfenteng (Caulis Sinomenii) | MOL000358 | beta-sitosterol | 36.91 | 0.75 |
MOL000621 | 16-epi-Isositsirikine | 49.52 | 0.59 | |
MOL000622 | Magnograndiolide | 63.71 | 0.19 | |
MOL000623 | Michelenolide | 47.54 | 0.25 | |
MOL000625 | Sinomenine | 46.09 | 0.53 | |
MOL000627 | Stepholidine | 33.11 | 0.54 | |
Sanqi (Radix Notoginseng) | MOL001494 | Mandenol | 42 | 0.19 |
MOL001792 | DFV | 32.76 | 0.18 | |
MOL002879 | Diop | 43.59 | 0.39 | |
MOL000358 | beta-sitosterol | 36.91 | 0.75 | |
MOL000449 | Stigmasterol | 43.83 | 0.76 | |
MOL005344 | ginsenoside rh2 | 36.32 | 0.56 | |
MOL007475 | ginsenoside f2 | 36.43 | 0.25 | |
MOL000098 | quercetin | 46.43 | 0.28 |
Table 1 Basic information of 33 active compounds from TCMSP
Chinese Herb | Mol ID | Molecule Name | OB | DL |
---|---|---|---|---|
Baishao (Radix Paeoniae Alba) | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy- 30-norolean-20-en-28,12beta-olide | 64.77 | 0.38 |
MOL001918 | paeoniflorgenone | 87.59 | 0.37 | |
MOL001919 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14- pentamethyl-2,3,5,6,7,9-hexahydro-1H- cyclopenta[a]phenanthrene-15,16-dione | 43.56 | 0.53 | |
MOL001921 | Lactiflorin | 49.12 | 0.8 | |
MOL001924 | paeoniflorin | 53.87 | 0.79 | |
MOL001925 | paeoniflorin_qt | 68.18 | 0.4 | |
MOL001928 | albiflorin_qt | 66.64 | 0.33 | |
MOL001930 | benzoyl paeoniflorin | 31.27 | 0.75 | |
MOL000211 | Mairin | 55.38 | 0.78 | |
MOL000358 | beta-sitosterol | 36.91 | 0.75 | |
MOL000359 | sitosterol | 36.91 | 0.75 | |
MOL000422 | kaempferol | 41.88 | 0.24 | |
MOL000492 | -catechin | 54.83 | 0.24 | |
Jianghuang (Rhizoma Curcumae Longae) | MOL000449 | Stigmasterol | 43.83 | 0.76 |
MOL000493 | campesterol | 37.58 | 0.71 | |
MOL000953 | CLR | 37.87 | 0.68 | |
Qiannianjian (Rhizoma Homalomenae) | MOL000358 | beta-sitosterol | 36.91 | 0.75 |
MOL000686 | acetylbullatantriol | 40.21 | 0.18 | |
MOL000691 | maristeminol | 30.64 | 0.38 | |
Qingfenteng (Caulis Sinomenii) | MOL000358 | beta-sitosterol | 36.91 | 0.75 |
MOL000621 | 16-epi-Isositsirikine | 49.52 | 0.59 | |
MOL000622 | Magnograndiolide | 63.71 | 0.19 | |
MOL000623 | Michelenolide | 47.54 | 0.25 | |
MOL000625 | Sinomenine | 46.09 | 0.53 | |
MOL000627 | Stepholidine | 33.11 | 0.54 | |
Sanqi (Radix Notoginseng) | MOL001494 | Mandenol | 42 | 0.19 |
MOL001792 | DFV | 32.76 | 0.18 | |
MOL002879 | Diop | 43.59 | 0.39 | |
MOL000358 | beta-sitosterol | 36.91 | 0.75 | |
MOL000449 | Stigmasterol | 43.83 | 0.76 | |
MOL005344 | ginsenoside rh2 | 36.32 | 0.56 | |
MOL007475 | ginsenoside f2 | 36.43 | 0.25 | |
MOL000098 | quercetin | 46.43 | 0.28 |
Chinese herb | Mol ID | Molecule Name | Mol ID | Molecule Name |
---|---|---|---|---|
Jinmaogouji (Cibotium Barometz) | MOL001973 | β-Sitosterol | MOL001988 | Stearic acid |
MOL001974 | Hexadecanoic acid | MOL001989 | Diethyl phthalate | |
MOL001975 | 5-Hydroxymethyl furaldehyde | MOL001990 | Tetradecanoic acid | |
MOL001976 | Cirsiumaldehyde | MOL001991 | Linoleic acid ethyl ester | |
MOL001977 | Daucosterol | MOL001992 | Methyl palmitate | |
MOL001978 | 3-hydroxyl-γ-pyrone | MOL001993 | Ethyl Stearate | |
MOL001979 | γ-Terpinen | MOL001993 | p-Hydroxyacetanilide | |
MOL001980 | Piperitone | MOL001995 | Protocatechuic aldehyde | |
MOL001981 | Cadina-1(10)4-diene | MOL001996 | Vanillin | |
MOL001982 | 7,10,13-Hexadecatrienoic acid methyl ester | MOL001998 | (24R)-stigmnst-4-ene-3-one | |
MOL001983 | 3-Terpineol | MOL001999 | 24-methylenecyeloartanol | |
MOL001984 | -5,11,14,17-eicosatetraenoate methyl | MOL002000 | (3R)-des-O-methyl-lasiodiplodin | |
MOL001989 | Dibutyl phthalate | MOL002001 | onitin | |
MOL001985 | -9-Octadecenoic acid | MOL002003 | onitin·2'-O-β-D-glucopyranosid | |
MOL001986 | Palmitic acid | MOL001997 | kaempferide | |
MOL001987 | Linolenic acid methyl ester | MOL002002 | altemariol | |
MOL001984 | (Z,Z,Z)-9,12,15-Octadecatrien-1-o1 | |||
Heiguteng (Periploca Forrestii Schltr) | MOL001374 | △5-pregnene-3β,17α,20α-triol | MOL001061 | 3-O-caffeoylquinic acid methyl ester |
MOL000016 | 27-hydroxyl-α-amyrin | MOL001233 | Syringic cacid | |
MOL000031 | Ursolic acid | MOL001245 | vanillic acid | |
MOL000033 | β-Sitosterol | MOL000001 | α-Amyrin | |
MOL000047 | daucosterol | MOL001402 | Chrysophanol | |
MOL000061 | Emodin | MOL001608 | TanshinoneⅡA | |
MOL000225 | Physcion | MOL001685 | Soy isoflavone | |
MOL000241 | Phenacetin | MOL001888 | Liquiritigenin | |
MOL000274 | Hexadecanoic acid | MOL001916 | Linalool | |
MOL000404 | 3β-hydroxy-oleana-ll, 13(18)-dien-28-oic acid | MOL001075 | 1,3-di-O一caffeoylquinic acid | |
MOL000407 | 14-ursen-3-ol-1-one | MOL001816 | Formononetin | |
MOL000433 | kaempferol | MOL001089 | Protocatechuic aldehyde | |
MOL000481 | quercetin | MOL001943 | Anethole? | |
MOL000536 | scopoletin | MOL000936 | n-Heptadecane | |
MOL000522 | emodin-8-O-β-D-glucopyranoside | MOL000508 | physcion-8-O-β-D-glucopyranoside | |
MOL000666 | E-p-hydroxy-cinnamic acid | MOL000867 | caffeicacid | |
MOL000498 | kaempferol-3-O-β-D-galactopyranoside | |||
Wushaoshe (Zaocys) | MOL000017 | ihydroferulic acid | MOL000145 | Thymine |
MOL000131 | β-sitosterol | MOL000283 | 4-hydroxybenzaIdehyde | |
MOL000001 | utylisobutyl phthalate |
Table 2 Basic information of 77 active compounds from ChemMapper
Chinese herb | Mol ID | Molecule Name | Mol ID | Molecule Name |
---|---|---|---|---|
Jinmaogouji (Cibotium Barometz) | MOL001973 | β-Sitosterol | MOL001988 | Stearic acid |
MOL001974 | Hexadecanoic acid | MOL001989 | Diethyl phthalate | |
MOL001975 | 5-Hydroxymethyl furaldehyde | MOL001990 | Tetradecanoic acid | |
MOL001976 | Cirsiumaldehyde | MOL001991 | Linoleic acid ethyl ester | |
MOL001977 | Daucosterol | MOL001992 | Methyl palmitate | |
MOL001978 | 3-hydroxyl-γ-pyrone | MOL001993 | Ethyl Stearate | |
MOL001979 | γ-Terpinen | MOL001993 | p-Hydroxyacetanilide | |
MOL001980 | Piperitone | MOL001995 | Protocatechuic aldehyde | |
MOL001981 | Cadina-1(10)4-diene | MOL001996 | Vanillin | |
MOL001982 | 7,10,13-Hexadecatrienoic acid methyl ester | MOL001998 | (24R)-stigmnst-4-ene-3-one | |
MOL001983 | 3-Terpineol | MOL001999 | 24-methylenecyeloartanol | |
MOL001984 | -5,11,14,17-eicosatetraenoate methyl | MOL002000 | (3R)-des-O-methyl-lasiodiplodin | |
MOL001989 | Dibutyl phthalate | MOL002001 | onitin | |
MOL001985 | -9-Octadecenoic acid | MOL002003 | onitin·2'-O-β-D-glucopyranosid | |
MOL001986 | Palmitic acid | MOL001997 | kaempferide | |
MOL001987 | Linolenic acid methyl ester | MOL002002 | altemariol | |
MOL001984 | (Z,Z,Z)-9,12,15-Octadecatrien-1-o1 | |||
Heiguteng (Periploca Forrestii Schltr) | MOL001374 | △5-pregnene-3β,17α,20α-triol | MOL001061 | 3-O-caffeoylquinic acid methyl ester |
MOL000016 | 27-hydroxyl-α-amyrin | MOL001233 | Syringic cacid | |
MOL000031 | Ursolic acid | MOL001245 | vanillic acid | |
MOL000033 | β-Sitosterol | MOL000001 | α-Amyrin | |
MOL000047 | daucosterol | MOL001402 | Chrysophanol | |
MOL000061 | Emodin | MOL001608 | TanshinoneⅡA | |
MOL000225 | Physcion | MOL001685 | Soy isoflavone | |
MOL000241 | Phenacetin | MOL001888 | Liquiritigenin | |
MOL000274 | Hexadecanoic acid | MOL001916 | Linalool | |
MOL000404 | 3β-hydroxy-oleana-ll, 13(18)-dien-28-oic acid | MOL001075 | 1,3-di-O一caffeoylquinic acid | |
MOL000407 | 14-ursen-3-ol-1-one | MOL001816 | Formononetin | |
MOL000433 | kaempferol | MOL001089 | Protocatechuic aldehyde | |
MOL000481 | quercetin | MOL001943 | Anethole? | |
MOL000536 | scopoletin | MOL000936 | n-Heptadecane | |
MOL000522 | emodin-8-O-β-D-glucopyranoside | MOL000508 | physcion-8-O-β-D-glucopyranoside | |
MOL000666 | E-p-hydroxy-cinnamic acid | MOL000867 | caffeicacid | |
MOL000498 | kaempferol-3-O-β-D-galactopyranoside | |||
Wushaoshe (Zaocys) | MOL000017 | ihydroferulic acid | MOL000145 | Thymine |
MOL000131 | β-sitosterol | MOL000283 | 4-hydroxybenzaIdehyde | |
MOL000001 | utylisobutyl phthalate |
Figure 1 Network pharmacology analysis of JWJG-compound-target-OA relationship A: Venn diagram of JWJG active compounds-OA targets; B: JWJG active compounds-OA targets network. JWJG: Jinwujiangu decoction; OA: osteoarthritis.
Figure 2 PPI, GO and KEGG analysis of the targets A: OA target protein PPI network treated with JWJG; B: Bar charts of OA key genes treated with JWJG; C: GO biological process enrichment bar chart of JWJG; D: GO biological process enrichment bubble chart of JWJG. The size of the bubbles represents gene count enriched in GO. X-axis represents gene ratio. Colors are identical to those in the bar chart; E: KEGG signaling pathway diagram of JWJG. Each node in the diagram represents a protein, a gene, or an enzyme. Arrows represent upstream and downstream relationships. Colorless dots indicate that a gene or protein is absent in the signaling pathway. Red indicates the presence of a gene or protein in the signaling pathway. PPI: protein-protein interaction; GO: gene oncology; KEGG: kyoto encyclopedia of genes and genomes; OA: osteoarthritis; JWJG: Jinwujiangu.
No. | KEGG Signaling pathways | Gene counts | Rate (%) |
---|---|---|---|
1 | Kaposi sarcoma-associated herpesvirus infection | 39 | 20.74 |
2 | Hepatitis B | 37 | 19.68 |
3 | Human cytomegalovirus infection | 36 | 19.15 |
4 | AGE-RAGE signaling pathway in diabetic complications | 33 | 17.55 |
5 | PI3K-Akt signaling pathway | 33 | 17.55 |
6 | Fluid shear stress and atherosclerosis | 32 | 17.02 |
7 | MAPK signaling pathway | 31 | 16.49 |
8 | Human T-cell leukemia virus 1 infection | 30 | 15.96 |
9 | Measles | 29 | 15.43 |
10 | Epstein-Barr virus infection | 29 | 15.43 |
11 | TNF signaling pathway | 28 | 14.89 |
12 | Tuberculosis | 28 | 14.89 |
13 | Prostate cancer | 27 | 14.36 |
14 | Toll-like receptor signaling pathway | 27 | 14.36 |
15 | Influenza A | 27 | 14.36 |
16 | IL-17 signaling pathway | 26 | 13.83 |
17 | Chagas disease (American trypanosomiasis) | 26 | 13.83 |
18 | Yersinia infection | 26 | 13.83 |
19 | Hepatitis C | 26 | 13.83 |
20 | Proteoglycans in cancer | 26 | 13.83 |
109 | Wnt signaling pathway | 9 | 4.79 |
110 | Cytosolic DNA-sensing pathway | 9 | 4.79 |
Table 3 JWJG KEGG enrichment pathways
No. | KEGG Signaling pathways | Gene counts | Rate (%) |
---|---|---|---|
1 | Kaposi sarcoma-associated herpesvirus infection | 39 | 20.74 |
2 | Hepatitis B | 37 | 19.68 |
3 | Human cytomegalovirus infection | 36 | 19.15 |
4 | AGE-RAGE signaling pathway in diabetic complications | 33 | 17.55 |
5 | PI3K-Akt signaling pathway | 33 | 17.55 |
6 | Fluid shear stress and atherosclerosis | 32 | 17.02 |
7 | MAPK signaling pathway | 31 | 16.49 |
8 | Human T-cell leukemia virus 1 infection | 30 | 15.96 |
9 | Measles | 29 | 15.43 |
10 | Epstein-Barr virus infection | 29 | 15.43 |
11 | TNF signaling pathway | 28 | 14.89 |
12 | Tuberculosis | 28 | 14.89 |
13 | Prostate cancer | 27 | 14.36 |
14 | Toll-like receptor signaling pathway | 27 | 14.36 |
15 | Influenza A | 27 | 14.36 |
16 | IL-17 signaling pathway | 26 | 13.83 |
17 | Chagas disease (American trypanosomiasis) | 26 | 13.83 |
18 | Yersinia infection | 26 | 13.83 |
19 | Hepatitis C | 26 | 13.83 |
20 | Proteoglycans in cancer | 26 | 13.83 |
109 | Wnt signaling pathway | 9 | 4.79 |
110 | Cytosolic DNA-sensing pathway | 9 | 4.79 |
Figure 3 Regulatory effects of JWJG in protecting chondrocytes A: HE staining results indicate that JWJG is effective in protecting chondrocytes (HE staining, × 400); B: Effect of JWJG on β-catenin, GSK-3β, and Axin. 1: Blank group, 2: Model group, 3: Low dose JWJG group, 4: Medium dose JWJG group, 5: High dose JWJG group, 6: Meloxicam control group, 7: Glucosamine control group; C: MYC, Wnt2a, Wnt5a, MMP13, BMP2, APC, and cylinD1 mRNA expressions in each group. JWJG: Jinwujiangu; HE: hematoxylin-eosin; GSK-3β: Glycogen synthesis kinase 3 β; Wnt: wingless-type MMTV integration site family; MMP13: matrix metalloproteinases 13; BMP2: bone morphogenetic protein-2; APC: activated protein C.
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